5-chloranyl-2-(2-cyanoethanoylamino)-4-(4-prop-2-enoxyphenyl)thiophene-3-carboxylic acid

Systemtic Name: 5-chloranyl-2-(2-cyanoethanoylamino)-4-(4-prop-2-enoxyphenyl)thiophene-3-carboxylic acid Openeye Name: 4-(4-allyloxyphenyl)-5-chloro-2-[(2-cyanoacetyl)amino]thiophene-3-carboxylic acid CAS Name: 5-chloro-2-[(2-cyano-1-oxoethyl)amino]-4-(4-prop-2-enoxyphenyl)-3-thiophenecarboxylic acid IUPAC Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-(4-prop-2-enoxyphenyl)thiophene-3-carboxylic acid Traditional Name: 4-(4-allyloxyphenyl)-5-chloro-2-[(2-cyanoacetyl)amino]-3-thenoic acid Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)O)NC(=O)CC#N)Cl

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)O)NC(=O)CC#N)Cl

InChI

InChI=1S/C17H13ClN2O4S/c1-2-9-24-11-5-3-10(4-6-11)13-14(17(22)23)16(25-15(13)18)20-12(21)7-8-19/h2-6H,1,7,9H2,(H,20,21)(H,22,23)